sid int64 0 10.4M | source_alex_id int64 1,000k 11.7M | formula stringlengths 1 21 | natoms int64 1 236 | energy_total_eV float64 -15,761.64 -0 | energy_linref_eV float64 -15,686.61 569 |
|---|---|---|---|---|---|
11,900 | 3,288,948 | Cu14Pd4 | 18 | -77.392524 | -2.797277 |
11,901 | 3,288,948 | Cu14Pd4 | 18 | -77.152899 | -2.557653 |
11,902 | 3,288,948 | Cu14Pd4 | 18 | -76.935127 | -2.33988 |
11,903 | 3,291,671 | Cu8Pd3 | 11 | -43.963023 | 2.620516 |
11,904 | 3,291,671 | Cu8Pd3 | 11 | -43.706245 | 2.877293 |
11,905 | 3,297,288 | Cu8Pd2 | 10 | -43.887187 | -2.844405 |
11,906 | 3,297,288 | Cu8Pd2 | 10 | -43.733124 | -2.690342 |
11,907 | 3,297,288 | Cu8Pd2 | 10 | -43.631857 | -2.589075 |
11,908 | 3,297,288 | Cu8Pd2 | 10 | -43.316353 | -2.273571 |
11,909 | 3,297,288 | Cu8Pd2 | 10 | -43.056857 | -2.014075 |
11,910 | 3,297,288 | Cu8Pd2 | 10 | -42.903509 | -1.860727 |
11,911 | 3,297,288 | Cu8Pd2 | 10 | -42.737839 | -1.695057 |
11,912 | 3,297,288 | Cu8Pd2 | 10 | -42.634737 | -1.591955 |
11,913 | 3,297,288 | Cu8Pd2 | 10 | -42.507164 | -1.464382 |
11,914 | 3,297,288 | Cu8Pd2 | 10 | -42.399768 | -1.356986 |
11,915 | 3,297,288 | Cu8Pd2 | 10 | -42.295572 | -1.25279 |
11,916 | 3,297,288 | Cu8Pd2 | 10 | -42.1774 | -1.134618 |
11,917 | 3,297,288 | Cu8Pd2 | 10 | -42.033592 | -0.99081 |
11,918 | 3,290,356 | Cu3Pd5 | 8 | -38.816021 | 0.123238 |
11,919 | 3,290,356 | Cu3Pd5 | 8 | -38.768953 | 0.170306 |
11,920 | 3,287,790 | Ho4Pd6 | 10 | -57.02035 | -5.973152 |
11,921 | 3,287,790 | Ho4Pd6 | 10 | -56.987998 | -5.9408 |
11,922 | 3,298,038 | Ho8Pd2 | 10 | -49.823769 | -3.13694 |
11,923 | 3,298,038 | Ho8Pd2 | 10 | -48.470208 | -1.783379 |
11,924 | 3,298,038 | Ho8Pd2 | 10 | -33.432948 | 13.25388 |
11,925 | 3,286,047 | Ho2Pd13 | 15 | -76.947799 | 3.983366 |
11,926 | 3,286,047 | Ho2Pd13 | 15 | -76.90412 | 4.027045 |
11,927 | 3,294,493 | Cd2Pb4 | 6 | -16.420939 | -0.597904 |
11,928 | 3,294,493 | Cd2Pb4 | 6 | -16.419358 | -0.596323 |
11,929 | 3,299,598 | Li6Zn | 7 | -12.595306 | 2.703463 |
11,930 | 3,299,598 | Li6Zn | 7 | -12.5048 | 2.793969 |
11,931 | 3,285,608 | Ge2Pd13 | 15 | -79.986485 | 2.158077 |
11,932 | 3,285,608 | Ge2Pd13 | 15 | -79.992072 | 2.15249 |
11,933 | 3,296,013 | Ge2Pd6 | 8 | -43.007438 | 0.351828 |
11,934 | 3,296,013 | Ge2Pd6 | 8 | -43.010482 | 0.348783 |
11,935 | 3,290,816 | Ge6Pd10 | 16 | -85.586585 | 0.165157 |
11,936 | 3,290,816 | Ge6Pd10 | 16 | -85.586622 | 0.165121 |
11,937 | 3,298,396 | Cd4Pb | 5 | -7.18618 | -0.397155 |
11,938 | 3,298,396 | Cd4Pb | 5 | -7.166858 | -0.377833 |
11,939 | 3,296,362 | Cd6Pb2 | 8 | -12.573529 | -0.614488 |
11,940 | 3,296,362 | Cd6Pb2 | 8 | -12.548515 | -0.589474 |
11,941 | 3,287,937 | Cd3Pb2 | 5 | -9.985995 | -0.455469 |
11,942 | 3,287,937 | Cd3Pb2 | 5 | -9.973743 | -0.443216 |
11,943 | 3,291,348 | Cd6Pb14 | 20 | -55.926745 | -1.355628 |
11,944 | 3,291,348 | Cd6Pb14 | 20 | -55.923983 | -1.352866 |
11,945 | 3,288,635 | Ce4I10 | 14 | -56.739018 | -6.314154 |
11,946 | 3,288,635 | Ce4I10 | 14 | -56.485163 | -6.060298 |
11,947 | 3,288,635 | Ce4I10 | 14 | -55.815729 | -5.390864 |
11,948 | 3,288,635 | Ce4I10 | 14 | -54.43467 | -4.009805 |
11,949 | 3,288,635 | Ce4I10 | 14 | -56.7247 | -6.299835 |
11,950 | 3,288,635 | Ce4I10 | 14 | -56.678596 | -6.253731 |
11,951 | 3,298,044 | Ce2I8 | 10 | -33.86113 | -1.613583 |
11,952 | 3,298,044 | Ce2I8 | 10 | -33.855115 | -1.607568 |
11,953 | 3,287,836 | Ge8Rh12 | 20 | -133.805908 | -0.696335 |
11,954 | 3,287,836 | Ge8Rh12 | 20 | -133.805749 | -0.696176 |
11,955 | 3,289,649 | Ge8Rh6 | 14 | -82.912049 | 3.872188 |
11,956 | 3,289,649 | Ge8Rh6 | 14 | -82.91244 | 3.871797 |
11,957 | 3,292,697 | Ge6Rh5 | 11 | -67.340826 | 1.607797 |
11,958 | 3,292,697 | Ge6Rh5 | 11 | -67.342882 | 1.60574 |
11,959 | 3,288,656 | Ba10Rh4 | 14 | -50.789659 | 6.498422 |
11,960 | 3,288,656 | Ba10Rh4 | 14 | -50.781177 | 6.506904 |
11,961 | 3,287,751 | Ac9N6 | 15 | -99.080028 | -4.159872 |
11,962 | 3,287,751 | Ac9N6 | 15 | -99.052779 | -4.132623 |
11,963 | 3,293,635 | Ge4Pr4 | 8 | -44.067876 | -4.970325 |
11,964 | 3,293,635 | Ge4Pr4 | 8 | -44.067556 | -4.970004 |
11,965 | 3,290,957 | Ge6Pr10 | 16 | -86.044889 | -8.530461 |
11,966 | 3,290,957 | Ge6Pr10 | 16 | -86.04324 | -8.528812 |
11,967 | 3,291,971 | Ge4Pr5 | 9 | -49.260684 | -5.446107 |
11,968 | 3,291,971 | Ge4Pr5 | 9 | -49.260399 | -5.445822 |
11,969 | 3,295,059 | Ge4Pr8 | 12 | -63.345291 | -5.379639 |
11,970 | 3,295,059 | Ge4Pr8 | 12 | -63.344199 | -5.378547 |
11,971 | 3,288,175 | Ge4Pr10 | 14 | -73.213304 | -5.813601 |
11,972 | 3,288,175 | Ge4Pr10 | 14 | -73.212976 | -5.813273 |
11,973 | 3,295,456 | Bi2Cs4 | 6 | -12.7026 | 0.774257 |
11,974 | 3,295,456 | Bi2Cs4 | 6 | -12.70263 | 0.774228 |
11,975 | 3,294,049 | Bi2Cs2 | 4 | -10.929545 | -0.234311 |
11,976 | 3,294,049 | Bi2Cs2 | 4 | -10.929562 | -0.234328 |
11,977 | 3,295,166 | I8Nd4 | 12 | -46.680652 | -8.995927 |
11,978 | 3,295,166 | I8Nd4 | 12 | -46.675349 | -8.990624 |
11,979 | 3,288,418 | I10Ni4 | 14 | -38.30276 | 7.884698 |
11,980 | 3,288,418 | I10Ni4 | 14 | -38.302565 | 7.884893 |
11,981 | 3,294,889 | F4Hg2 | 6 | -16.045751 | 4.611167 |
11,982 | 3,294,889 | F4Hg2 | 6 | -15.931721 | 4.725197 |
11,983 | 3,294,889 | F4Hg2 | 6 | -15.847146 | 4.809772 |
11,984 | 3,294,889 | F4Hg2 | 6 | -15.69805 | 4.958868 |
11,985 | 3,288,196 | O4Sc10 | 14 | -106.260837 | -10.426486 |
11,986 | 3,288,196 | O4Sc10 | 14 | -106.233797 | -10.399446 |
11,987 | 3,293,631 | Ge6Nb6 | 12 | -92.546413 | -1.95857 |
11,988 | 3,293,631 | Ge6Nb6 | 12 | -92.54622 | -1.958377 |
11,989 | 3,296,309 | Au4La12 | 16 | -78.330393 | -3.386048 |
11,990 | 3,296,309 | Au4La12 | 16 | -78.313015 | -3.36867 |
11,991 | 3,288,905 | Ce2Pa5 | 7 | -58.096029 | 7.908291 |
11,992 | 3,288,905 | Ce2Pa5 | 7 | -58.093387 | 7.910933 |
11,993 | 3,293,137 | Ag7O5 | 12 | -44.389502 | 9.865848 |
11,994 | 3,293,137 | Ag7O5 | 12 | -44.312146 | 9.943205 |
11,995 | 3,287,830 | I6Pm4 | 10 | -39.53901 | -6.366303 |
11,996 | 3,287,830 | I6Pm4 | 10 | -39.538969 | -6.366262 |
11,997 | 3,288,636 | I10Pm4 | 14 | -51.493741 | -8.940881 |
11,998 | 3,288,636 | I10Pm4 | 14 | -51.482928 | -8.930067 |
11,999 | 3,286,373 | Hg13La2 | 15 | -16.047006 | -4.662754 |
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